Scientific Talks

Charting Chemical Reaction Space with First-Principles Methods
15th Symposium of the IRTG 2027 Münster–Toronto, Toronto, Münster
(April 27th, 2023)

Autonomous quantum chemical mechanism exploration to aid artificial intelligence driven synthesis planning and catalyst design
NCCR Catalysis Annual Event, Zürich
(June 9th-10th, 2022)

Chemoton 2.0: Autonomous exploration of Chemical Reaction Network
Invited Presentation at BASF, Virtual
(May 16th, 2022)

Chemoton 2.0: Autonomous exploration of Chemical Reaction Network
Invited Presentation at Covestro, Virtual
(May 11th, 2022)

Developing Software in an Academic Setting – Lessons Learned in Computational Chemistry
IVV Kolloquium, Münster
(Febuary 3rd, 2022)

Chemoton 2.0
Neugebauer Group Seminar, Münster
(December 15th, 2021)

Strategies and Requirements for the Automated Exploration of Complex Chemical Reaction Networks
9th Molecular Quantum Mechanics Conference, MQM 2019, Heidelberg
(June 30th-July 5th, 2019)

The Chemoton Project for Chemical Reaction Space Exploration
6th C4 Workshop, University of Zürich, Zürich
(June 5th, 2019)

DFT and the Acidity of Transition Metal Hydride Complexes
5th Symposium of the IRTG 2027 Münster–Toronto, Toronto
(March 9th-10th, 2017)

Computational Reaction Path Analysis for NHC-Catalyzed Annulation Reactions
2nd Symposium of the IRTG 2027 Münster–Toronto, Münster
(October 5th-6th, 2015)

Embedding in Serenity
2nd Joint Seminar on Purpose-Driven Quantum Chemistry, Bodefeld
(September 18th, 2015)

Poster Presentations

Efficiently Charting Chemical Reaction Space with First-Principles Methods
17th International Congress of Quantum Chemistry, ICQC 2023, Bratislava
(June 26th–July 1st, 2023)

Chemoton 2.0: Exploring Reaction Networks
58th Symposium on Theoretical Chemistry, STC 2022, Heidelberg
(September 9th-22nd, 2022)

Chemoton 2.0: Exploring Reaction Networks
SCS Fall Meeting 2022, Zurich
(September 8th, 2022)

Chemoton 2.0: Exploring Reaction Networks
12th Triennial Congress of the Wold Association of Theoretical and Computational Chemists, WATOC 2020, Vancouver
(July 3rd-8th, 2022)

Chemoton 2.0: Exploring Reaction Networks
57th Symposium on Theoretical Chemistry, STC 2021, Online (Würzburg)
(September 20th-24th, 2021)

Chemoton 2.0: Exploring Reaction Networks
SCS Fall Meeting 2021, Online
(September 10th, 2021)

Strategies and Requirements for the Automated Exploration of Complex Chemical Reaction Networks
10th Triennial Congress of the International Society for Theoretical Chemical Physics, ISTCP 2019, Tromsø, Norway
(July 11th-17th, 2019)

Density Functional Theory Applied to Determine Acidities of Transition Metal Hydride Complexes
On-site Review of the IRTG 2027 Münster–Toronto, Münster
(Febuary 6th-7th, 2018)

Serenity: A Subsystem Quantum Chemistry Program
6th Symposium of the IRTG 2027 Münster–Toronto, Münster
(September 5th-6th, 2017)

Serenity: A Subsystem Quantum Chemistry Program
11th Triennial Congress of the Wold Association of Theoretical and Computational Chemists, WATOC 2017, Munich\
(August 27th-September 1st, 2017)

Many-Body Energies and Energy Decomposition of Non-Covalent Complexes and Clusters with Subsystem DFT
5th Symposium of the IRTG 2027 Münster–Toronto, Toronto
(March 9th-10th, 2017)

Many-Body Energies and Energy Decomposition of Non-Covalent Complexes and Clusters with Subsystem DFT
9th Triennial Congress of the International Society for Theoretical Chemical Physics, ISTCP 2016, Grand Forks, ND
(July 17th-22th, 2016)

Energy Decomposition in Subsystem DFT
3rd Symposium of the IRTG 2027 Münster–Toronto, Toronto
(April 3rd-5th, 2016)

Yet Another New Quantum Chemistry Program?
2nd Symposium of the IRTG 2027 Münster–Toronto, Münster
(October 5th-6th, 2015)

Towards Accurate Wavefunction-in-DFT Embedding for Transition Metal Catalysts
6th Münster Symposium on Cooperative Effects in Chemistry, MS_CEC 2015, Münster
(May 8th, 2015)

Understanding Catalysis from First Principles: Towards WFT-in-DFT Embedding for Transition Metal Catalysts
1st Symposium of the IRTG 2027 Münster–Toronto, Toronto
(March 20th-21st, 2015)

A Basis Set Expansion of Cap Potentials in Constrained MFCC and 3-FDE Calculations
Sostrup Summer School - Quantum Chemistry and Molecular Properties
(July 6th-18th, 2014)